ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline

C19H23N — CID 168983900

IUPACethane;6-methyl-4-propan-2-ylbenzo[h]quinoline
SMILESCC.Cc1cc2c(C(C)C)ccnc2c2ccccc12
InChIInChI=1S/C17H17N.C2H6/c1-11(2)13-8-9-18-17-15-7-5-4-6-14(15)12(3)10-16(13)17;1-2/h4-11H,1-3H3;1-2H3
InChIKeyJVMFTVDROMUYAF-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.85
Rot. Bonds1

About ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline

ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline (PubChem CID 168983900) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline.

Molecular Properties

Compound Nameethane;6-methyl-4-propan-2-ylbenzo[h]quinoline
PubChem CID168983900
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Nameethane;6-methyl-4-propan-2-ylbenzo[h]quinoline
SMILESCC.Cc1cc2c(C(C)C)ccnc2c2ccccc12
InChIInChI=1S/C17H17N.C2H6/c1-11(2)13-8-9-18-17-15-7-5-4-6-14(15)12(3)10-16(13)17;1-2/h4-11H,1-3H3;1-2H3
InChIKeyJVMFTVDROMUYAF-UHFFFAOYSA-N
XLogP5.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 160608048
CID 160608048
8-methylsulfanyl-4-propan-2-ylquinoline
CID 58755572
7-methyl-4-propan-2-yl-8-propylquinoline
CID 168983866
4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline
CID 71048988
6-methoxy-4-methylbenzo[h]quinoline
CID 11009579
8-bromo-6-methoxy-4-propan-2-ylquinoline
CID 167327575
1-(4-propan-2-ylquinolin-8-yl)ethenol
CID 158073547
2-methylpropane;4-propan-2-ylbenzo[g]quinoline
CID 168983890
5-methyl-4-propan-2-ylbenzo[g]quinoline
CID 168983868
N,4-dimethylbenzo[h]quinolin-6-amine
CID 177168582
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
8-bromo-5-propan-2-ylquinoline
CID 22716768

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline?
The IUPAC name of ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline (CID 168983900) is ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline.
What is the SMILES notation for ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline?
The canonical SMILES for ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline is CC.Cc1cc2c(C(C)C)ccnc2c2ccccc12.
What is the InChIKey of ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline?
The InChIKey is JVMFTVDROMUYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N.C2H6/c1-11(2)13-8-9-18-17-15-7-5-4-6-14(15)12(3)10-16(13)17;1-2/h4-11H,1-3H3;1-2H3.
What are the key properties of ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline?
ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline has a molecular weight of 265.40 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-4-propan-2-ylbenzo[h]quinoline is sourced from PubChem (CID 168983900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).